SCHEMBL7731091

SCHEMBL7731091

COc1ccc(N2C(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C2c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P2RX3 P56373 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPBWR1 P48145 1/20 0.40
SOAT1 P35610 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
STING1 Q86WV6 1/20 0.38
NOX4 Q9NPH5 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7735969 0.88 NPSR1 (0.58) NPSR1SMN1; SMN2MEN1KMT2AHSD11B1
SCHEMBL6968887 0.88 GFER (0.47) NPSR1SMN1; SMN2L3MBTL1HSD11B1ALDH1A1
SCHEMBL8306745 0.88 GFER (0.47) NPSR1SMN1; SMN2L3MBTL1HSD11B1ALDH1A1
SCHEMBL8952493 0.81 CACNA1G (0.39) NPSR1MEN1KMT2AP2RX3ALDH1A1
SCHEMBL4177490 0.77 HSD11B1 (0.45) NPSR1SMN1; SMN2KMT2AHSD11B1ALDH1A1
SCHEMBL4177483 0.77 HSD11B1 (0.45) NPSR1SMN1; SMN2KMT2AHSD11B1ALDH1A1
SCHEMBL4177495 0.77 HSD11B1 (0.45) NPSR1SMN1; SMN2KMT2AHSD11B1ALDH1A1
SCHEMBL4184940 0.77 NPSR1 (0.39) NPSR1SMN1; SMN2MEN1KMT2AHSD11B1
SCHEMBL4179392 0.75 HSD11B1 (0.39) NPSR1SMN1; SMN2KMT2AHSD11B1ALDH1A1
SCHEMBL4179397 0.75 HSD11B1 (0.39) NPSR1SMN1; SMN2KMT2AHSD11B1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed